Structure of PDB 5xj9 Chain A Binding Site BS13

Receptor Information
>5xj9 Chain A (length=200) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSALFLVIFAYLLGSITFGEVIAKLKGVDLRNVGSGNVGATNVTRALGKK
YGVLVFFLDFLKGFIPALIAVKSFGIDSWVLTFTGLASVLGHMYPVFFGF
KGGKGVATALGVVFAVSPSVALFSFLVWLGIFLWKRYVSLASITATISAF
LFLFVAGYPVNVLFMAIVIGALIIYRHRENINRLLTGREHRFGTLEVLFQ
Ligand information
Ligand ID78M
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m0/s1
InChIKeyBJMLBVHMHXYQFS-JJEJIETFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC=CCCCCCC(=O)OCC(CO)O
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O
CACTVS 3.370CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.370CCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
FormulaC18 H34 O4
Name(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE;
7.8 MONOACYLGLYCEROL
ChEMBL
DrugBank
ZINCZINC000098208564
PDB chain5xj9 Chain A Residue 313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xj9 Structural insights into the committed step of bacterial phospholipid biosynthesis.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		Y11 A87 Y94
Binding residue
(residue number reindexed from 1)		Y11 A87 Y94
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.275: acyl phosphate:glycerol-3-phosphate acyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0043772 acyl-phosphate glycerol-3-phosphate acyltransferase activity
Biological Process
GO:0006644 phospholipid metabolic process
GO:0008654 phospholipid biosynthetic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xj9, PDBe:5xj9, PDBj:5xj9
PDBsum5xj9
PubMed29167463
UniProtO66905|PLSY_AQUAE Glycerol-3-phosphate acyltransferase (Gene Name=plsY)

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